N-(cyclopropylmethyl)-2-[[4-[(2S)-2-hydroxyhexyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide

C19H32N4O3 — CID 92986405

IUPACN-(cyclopropylmethyl)-2-[[4-[(2S)-2-hydroxyhexyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
SMILESCCCC[C@H](O)CN1CCN(Cc2nc(C(=O)NCC3CC3)co2)CC1
InChIInChI=1S/C19H32N4O3/c1-2-3-4-16(24)12-22-7-9-23(10-8-22)13-18-21-17(14-26-18)19(25)20-11-15-5-6-15/h14-16,24H,2-13H2,1H3,(H,20,25)/t16-/m0/s1
InChIKeyJZGXXZHRRMWYGU-INIZCTEOSA-N
MW364.49 g/mol
LogP1.48
Rot. Bonds10

About N-(cyclopropylmethyl)-2-[[4-[(2S)-2-hydroxyhexyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide

N-(cyclopropylmethyl)-2-[[4-[(2S)-2-hydroxyhexyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 92986405) has the molecular formula C19H32N4O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[[4-[(2S)-2-hydroxyhexyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[[4-[(2S)-2-hydroxyhexyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
PubChem CID92986405
Molecular FormulaC19H32N4O3
Molecular Weight364.49 g/mol
Exact Mass364.25
IUPAC NameN-(cyclopropylmethyl)-2-[[4-[(2S)-2-hydroxyhexyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
SMILESCCCC[C@H](O)CN1CCN(Cc2nc(C(=O)NCC3CC3)co2)CC1
InChIInChI=1S/C19H32N4O3/c1-2-3-4-16(24)12-22-7-9-23(10-8-22)13-18-21-17(14-26-18)19(25)20-11-15-5-6-15/h14-16,24H,2-13H2,1H3,(H,20,25)/t16-/m0/s1
InChIKeyJZGXXZHRRMWYGU-INIZCTEOSA-N
XLogP1.48
TPSA81.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-(2-hydroxyhexyl)piperazin-1-yl]methyl]-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 46051889
2-[[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide
CID 92986413
N-(cyclopropylmethyl)-2-(piperazin-1-ylmethyl)-1,3-oxazole-4-carboxamide
CID 42855773
2-[(4-benzylpiperazin-1-yl)methyl]-N-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide
CID 42856210
2-[[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methyl]-N-[(2S)-2-methylbutyl]-1,3-oxazole-4-carboxamide
CID 92986370
N-(4-chlorophenyl)-2-[[4-[(2S)-2-hydroxypentyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986495
[2-[[4-[(2R)-2-hydroxyhexyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 92986674
2-[[4-[(2R)-2-hydroxy-3-prop-2-ynoxypropyl]piperazin-1-yl]methyl]-N-propyl-1,3-oxazole-4-carboxamide
CID 92986286
2-[[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]methyl]-N-(2-methylbutyl)-1,3-oxazole-4-carboxamide
CID 46051304
2-[[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methyl]-N-propyl-1,3-oxazole-4-carboxamide
CID 92986274
N-(3-chloro-4-fluorophenyl)-2-[[4-[(2R)-2-hydroxypentyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986474
N-cyclohexyl-2-[[4-[(2S)-2-hydroxy-3-methylbutyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986253

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[[4-[(2S)-2-hydroxyhexyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[[4-[(2S)-2-hydroxyhexyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide (CID 92986405) is N-(cyclopropylmethyl)-2-[[4-[(2S)-2-hydroxyhexyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[[4-[(2S)-2-hydroxyhexyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[[4-[(2S)-2-hydroxyhexyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide is CCCC[C@H](O)CN1CCN(Cc2nc(C(=O)NCC3CC3)co2)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[[4-[(2S)-2-hydroxyhexyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is JZGXXZHRRMWYGU-INIZCTEOSA-N. The full InChI is InChI=1S/C19H32N4O3/c1-2-3-4-16(24)12-22-7-9-23(10-8-22)13-18-21-17(14-26-18)19(25)20-11-15-5-6-15/h14-16,24H,2-13H2,1H3,(H,20,25)/t16-/m0/s1.
What are the key properties of N-(cyclopropylmethyl)-2-[[4-[(2S)-2-hydroxyhexyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?
N-(cyclopropylmethyl)-2-[[4-[(2S)-2-hydroxyhexyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 1.48, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[[4-[(2S)-2-hydroxyhexyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 92986405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).